N-benzhydryl-N-[4-(dimethylsulfamoyl)phenyl]carbamate

C22H21N2O4S- — CID 57376918

IUPACN-benzhydryl-N-[4-(dimethylsulfamoyl)phenyl]carbamate
SMILESCN(C)S(=O)(=O)c1ccc(N(C(=O)[O-])C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C22H22N2O4S/c1-23(2)29(27,28)20-15-13-19(14-16-20)24(22(25)26)21(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-16,21H,1-2H3,(H,25,26)/p-1
InChIKeyFPKWSAFEJOZSGN-UHFFFAOYSA-M
MW409.49 g/mol
LogP2.88
Rot. Bonds6

About N-benzhydryl-N-[4-(dimethylsulfamoyl)phenyl]carbamate

N-benzhydryl-N-[4-(dimethylsulfamoyl)phenyl]carbamate (PubChem CID 57376918) has the molecular formula C22H21N2O4S- and a molecular weight of 409.49 g/mol. Its IUPAC name is N-benzhydryl-N-[4-(dimethylsulfamoyl)phenyl]carbamate.

Molecular Properties

Compound NameN-benzhydryl-N-[4-(dimethylsulfamoyl)phenyl]carbamate
PubChem CID57376918
Molecular FormulaC22H21N2O4S-
Molecular Weight409.49 g/mol
Exact Mass409.12
IUPAC NameN-benzhydryl-N-[4-(dimethylsulfamoyl)phenyl]carbamate
SMILESCN(C)S(=O)(=O)c1ccc(N(C(=O)[O-])C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C22H22N2O4S/c1-23(2)29(27,28)20-15-13-19(14-16-20)24(22(25)26)21(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-16,21H,1-2H3,(H,25,26)/p-1
InChIKeyFPKWSAFEJOZSGN-UHFFFAOYSA-M
XLogP2.88
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-N-[4-(dimethylsulfamoyl)phenyl]carbamate?
The IUPAC name of N-benzhydryl-N-[4-(dimethylsulfamoyl)phenyl]carbamate (CID 57376918) is N-benzhydryl-N-[4-(dimethylsulfamoyl)phenyl]carbamate.
What is the SMILES notation for N-benzhydryl-N-[4-(dimethylsulfamoyl)phenyl]carbamate?
The canonical SMILES for N-benzhydryl-N-[4-(dimethylsulfamoyl)phenyl]carbamate is CN(C)S(=O)(=O)c1ccc(N(C(=O)[O-])C(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-benzhydryl-N-[4-(dimethylsulfamoyl)phenyl]carbamate?
The InChIKey is FPKWSAFEJOZSGN-UHFFFAOYSA-M. The full InChI is InChI=1S/C22H22N2O4S/c1-23(2)29(27,28)20-15-13-19(14-16-20)24(22(25)26)21(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-16,21H,1-2H3,(H,25,26)/p-1.
What are the key properties of N-benzhydryl-N-[4-(dimethylsulfamoyl)phenyl]carbamate?
N-benzhydryl-N-[4-(dimethylsulfamoyl)phenyl]carbamate has a molecular weight of 409.49 g/mol, XLogP of 2.88, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-N-[4-(dimethylsulfamoyl)phenyl]carbamate is sourced from PubChem (CID 57376918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).